Software



Our group contributes to a number of quantum chemical software packages as well as developing our own codes.


QUantum Electronic Structure Techniques (QUEST)

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QUEST is our in-house rapid development platform. The code is written predominantly in python, allowing for rapid implementation and prototyping of new quantum chemical methods. For more information see http://quest.codes

DALTON

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The DALTON and LS-DALTON programs are well established programs for performing a wide range of quantum chemical calculations. Our group contributes to the development of these packages. To learn more see http://daltonprogram.org

LONDON

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London makes use of Gaussian London-type atomic orbitals to allow for the simulation of molecular systems in strong magnetic fields. It features a wide range of electronic structure methods that have been generalised to this context. Our group has contributed to the development of current density-functional methods in this program. To learn more see http://londonprogram.org
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